6-methylcyclohexa-1,3-dien-1-amine

C7H11N — CID 18380264

IUPAC6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=CC=C1N
InChIInChI=1S/C7H11N/c1-6-4-2-3-5-7(6)8/h2-3,5-6H,4,8H2,1H3
InChIKeyTVSDQVHWZKGSHG-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.42
Rot. Bonds

About 6-methylcyclohexa-1,3-dien-1-amine

6-methylcyclohexa-1,3-dien-1-amine (PubChem CID 18380264) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 6-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methylcyclohexa-1,3-dien-1-amine
PubChem CID18380264
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name6-methylcyclohexa-1,3-dien-1-amine
SMILESCC1CC=CC=C1N
InChIInChI=1S/C7H11N/c1-6-4-2-3-5-7(6)8/h2-3,5-6H,4,8H2,1H3
InChIKeyTVSDQVHWZKGSHG-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methylcyclohexa-1,3-dien-1-amine (CID 18380264) is 6-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methylcyclohexa-1,3-dien-1-amine is CC1CC=CC=C1N.
What is the InChIKey of 6-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is TVSDQVHWZKGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-2-3-5-7(6)8/h2-3,5-6H,4,8H2,1H3.
What are the key properties of 6-methylcyclohexa-1,3-dien-1-amine?
6-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 18380264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).